6-methyl-3-methyl-2-methoxy-4-pyrimidinone | 94815-76-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-methyl-3-methyl-2-methoxy-4-pyrimidinone
• 英文别名: 2-methoxy-3,6-dimethyl-4(3H)-pyrimidinone；3,6-dimethyl-2-methoxy-4-pyrimidinone；2-Methoxy-3,6-dimethylpyrimidin-4-one
• CAS: 94815-76-6
• 化学式: C₇H₁₀N₂O₂
• 分子量: 154.169
• InChiKey: PCCYRFCZJABKDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-methyl-3-methyl-2-methoxy-4-pyrimidinone 在 硫酸 作用下， 反应 2.0h， 以100%的产率得到3,6-二甲基-1H-嘧啶-2,4-二酮
  参考文献：
  名称：

  嘧啶转化中的6-烷基和5,6-二烷基-2-甲氧基-4（3H）-嘧啶酮-2：合成并转化为烷基尿嘧啶和2-烷氧基-4（3H）-嘧啶酮

  摘要：

  描述了6-烷基和5，6-二烷基-2-甲氧基-4（3H）-嘧啶酮3的合成。它们的多功能性可转化为6烷基和5,6-二烷基尿嘧啶4（ah），6-烷基和5,6-二烷基-3-甲基尿嘧啶7（a，e，f）和6烷基和5,6-还显示了二烷基-2-烷氧基-4（3H）-嘧啶酮5（ai）。

  DOI：

  10.1016/0040-4020(84)85016-4
• 作为产物：
  描述：

  2-甲氧基-4-甲基-6-羟基嘧啶 、 硫酸二甲酯 在 lithium hydride 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以98%的产率得到6-methyl-3-methyl-2-methoxy-4-pyrimidinone
  参考文献：
  名称：

  HSAB驱动的尿嘧啶衍生物烷基化反应的化学选择性。3-烷基化和不对称的1,3-二烷基化尿嘧啶的高产制剂

  摘要：

  已发现2-甲氧基-4（3H）-嘧啶酮1-3的共轭碱的定性硬度标度（N 1

  DOI：

  10.1016/s0040-4020(99)00736-x

文献信息

• Antiviral Agents: Synthesis of Furylpyrimidinones and Evaluation of Their Cytostatic and Antiviral Activity1)
  作者：Maurizio Botta、Francesco De Angelis、Federico Corelli、Maria Menichincheri、Rosario Nicoletti、Maria E. Marongiu、Alessandra Pani、Paolo La Colla

  DOI：10.1002/ardp.19913240403

  日期：——

  Condensation between furyllithium reagents and pyrimidinones 1,2,3, and 4 has been studied. The product composition is strongly dependent upon the reaction conditions and purification methodologies. Cytostatic and antiviral activities of some substrates and reaction products is reported.

  已经研究了呋喃基锂试剂和嘧啶酮 1、2、3 和 4 之间的缩合。产品组成在很大程度上取决于反应条件和纯化方法。报道了一些底物和反应产物的细胞抑制和抗病毒活性。
• Synthesis, Biological Evaluation, and Pharmacophore Generation of Uracil, 4(3<i>H</i>)-Pyrimidinone, and Uridine Derivatives as Potent and Selective Inhibitors of Parainfluenza 1 (Sendai) Virus
  作者：Raffaele Saladino、Claudia Crestini、Anna Teresa Palamara、Maria Chiara Danti、Fabrizio Manetti、Federico Corelli、E. Garaci、Maurizio Botta

  DOI：10.1021/jm010938i

  日期：2001.12.1

  Several new 6-oxiranyl-, 6-oxiranylmethyluracils, and pyrimidinone derivatives, synthesized by lithiation-alkylation sequence of 1,3,6-trimethyluracil, 1,3-dimethyl-6-chloromethyluracil, and 2-alkoxy-6-methyl-4(3H)-pyrimidinones, showed a potent and selective antiviral activity against Sendai virus (SV) replication. To gain insight into the structural features required for SV inhibition activity, the new compounds were submitted to a pharmacophore generation procedure using the program Catalyst. The resulting pharmacophore model showed high correlation and predictive power. It also rationalized the relationships between structural properties and biological data of these inhibitors of SV replication.
• An Unusual Condensation of Pyrimidinones: Synthesis of Bipyrimidinones and Bipyrimidinylmethane
  作者：Maurizio Botta、Raffaele Saladino、Augusto Gambacorta、Rosario Nicoletti

  DOI：10.3987/com-91-5751

  日期：——

  An unusual condensation of pyrimidinones (2), (3), and (12) in the presence of lithiated furan derivatives or LiHMDS leads to the formation of 7, 8 and 13. In the case of the self condensation of 3, a novel acyloin reaction is invoked to explain the formation of product (8) where the substrate acts as the catalyst in the reaction.
• BOTTA, MAURIZIO;DE, ANGELIS FRANCESCO;CORELLI, FEDERICO;MENICHINCHERI, MA+, ARCH. PHARM., 324,(1991) N, C. 203-207
  作者：BOTTA, MAURIZIO、DE, ANGELIS FRANCESCO、CORELLI, FEDERICO、MENICHINCHERI, MA+

  DOI：——

  日期：——
• BOTTA, M.;CAVALIERI, M.;CECI, D.;DE, ANGELIS, F.;FINIZIA, G.;NICOLETTI, R+, TETRAHEDRON, 1984, 40, N 17, 3313-3320
  作者：BOTTA, M.、CAVALIERI, M.、CECI, D.、DE, ANGELIS, F.、FINIZIA, G.、NICOLETTI, R+

  DOI：——

  日期：——